The objective of the present study was to determine the predominant minerals in sedimentary rocks using Fourier-transform infrared (FTIR) spectroscopy and chemometric analysis. The chemometric analysis was performed on three types of sedimentary rock samples (claystones, clay slates, and sandstones), each with different predominant mineral components. Chemometric models were created to determine the major minerals of the rock samples studied — chlorite, muscovite, albite, and quartz. The FTIR spectra were obtained in transmission mode from pressed pellets of KBr-sample mixtures or by diffuse reflectance from hand-packed mixtures of samples with KBr. Spectral regions measured were 4000-3000 and 1300–400 cm-1, which contained important spectral information for the creation of the chemometric models. Principal component analysis was used in the chemometric method, with calibration models being created by a partial least-squares regression method. The mean relative error, standard error of prediction, and relative standard deviation were calculated for the assessment of accuracy, precision, and reproducibility. The value of the mean relative error was 15–20% for most of the calibration models; the value of the standard error of prediction was up to 6 w/w % for most of the calibration models. The values of the standard relative deviation ranged from ~2 to 8% for calibration models based on diffuse reflectance spectra whereas calibration models based on transmission spectra had values of relative standard deviation of ~15-20%.

The NASA 2020 Mars mission is a Curiosity-type rover whose objective is to improve the knowledge of the geological and climatic evolution of Mars and to collect rock samples for return to Earth. The new rover has a payload of seven instruments including the SuperCam instrument which consists of four tools including a Raman spectrometer. This Raman device will be non-destructive and will analyse the surface remotely in order to determine the mineralogy of rocks and, by extent, to detect and quantify major elements such as sulfur. Sulfur has been detected as sulfate (Ca,Mg,Fe-sulfates) in sedimentary rocks. This element is difficult to quantify using the laser ablation tool of the ChemCam instrument on-board the Curiosity rover.

We propose a Raman calibration to constrain the sulfur abundance in polymineralic mixtures. We acquired Raman signatures on binary and ternary mechanical mixtures containing Ca and Mg sulfates, mixed with natural silicate minerals supposed to be relevant to basaltic-sedimentary rocks at the surface of Mars: olivine, clinopyroxene, orthopyroxene and plagioclase. Using the Voigt function to process the Raman spectra from samples extracted from our mixtures allows us to calculate the initial proportions of our preparations of Ca and Mg sulfates. From these simulations, calibration equations have been provided allowing us to determine sulfate proportions (CaSO4 and MgSO4) in a mixture with basaltic minerals. With the presented calibration, S can be quantified at a lower limit of 0.7 wt.% in Martian soil.

Clay minerals in early Jurassic sequences of shales, siltstones and sandstones deposited in non-marine, transitional and shallow marine environments have been examined by X-ray diffraction, electron microscopy and chemical analysis to study the relationship between clay minerals, their environment of deposition and subsequent diagenetic modifications.

The inherited clay mineral composition of the fine-grained sediments reflects the influence of climate, relief, source rocks and depositional processes. Inhomogeneous clay mineral assemblages, comprising abundant kaolinite and varying proportions of illite, I-S, chlorite and vermiculite, characterize fine-grained sediments from the non-marine and transitional environments. In shallow marine depositional environments clay mineral assemblages are more uniform, dominated by illite+I-S with minor kaolinite and chlorite.

The principal diagenetic process affecting fine-grained sedimentary rocks is the smectite–illite transformation. In sandstones, the authigenic formation of kaolinite, chlorite and illite appears to have been primarily determined by the environment of deposition.

Clay minerals of calcareous sedimentary rocks of southern Iran, part of the old Tethys area, were investigated in order to determine their origin and distribution, and to reconstruct the palaeoclimate of the area. Chemical analysis, X-ray diffraction, transmission electron microscopy, scanning electron microscopy, and thin-section studies were performed on the 16 major sedimentary rocks of the Fars and Kuhgiluyeh Boyerahmad Provinces.

Kaolinite, smectite, chlorite, illite, palygorskite and illite-smectite interstratified minerals were detected in the rocks studied. The results revealed that detrital input is possibly the main source of kaolinite, smectite, chlorite and illite, while in situ neoformation during the Tertiary shallow saline and alkaline environment could be the dominant cause of palygorskite occurrences in the sedimentary rocks.

The presence of a large amount of kaolinite in the Lower Cretaceous sediments and the absence or rare occurrence of chlorite, smectite, palygorskite and illite are in accordance with the warm and humid climate of that period. Smaller amounts of kaolinite and the occurrence of smectite in Upper Cretaceous sediments indicate the gradual shift from warm and humid to more seasonal climate. The occurrence of palygorskite and smectite and the disappearance of kaolinite in the late Palaeocene sediments indicate the increase in aridity which has probably continued to the present time.

A range of authigenic sedimentary chlorites from sandstones has been studied by analytical transmission electron microscopy. Selected area (single crystal) electron diffraction patterns are of the Ib (β = 90°) polytype confirming the earlier observations of Hayes (1970).

TEM analyses show all samples to be relatively rich in both Al and Fe. In the general formula (Mg,Fe,Al)n [Si8−xAlxO20](OH)16, x varies between 1.5 and 2.6; Fe/(Fe + Mg) between 0.47 and 0.83 and n between 10.80 and 11.54. Octahedral Al is close to 3 in this formulation and Fe2+ predominates over Fe3+. Swelling chlorites have significantly different compositions which are consistent with smectite/chlorite interstratifications.

The Ib (β = 90°) polytype appears to be stable under conditions of moderate to deep burial. It replaces berthierine and swelling chlorites formed at lower temperatures. As commonly seen in grain coatings, however, it precipitates from porewater; solutes probably being contributed from several mineral decomposition reactions.

The significance of the potential impacts of microbial activity on the transport properties of host rocks for geological repositories is an area of active research. Most recent work has focused on granitic environments. This paper describes pilot studies investigating changes in transport properties that are produced by microbial activity in sedimentary rock environments in northern Japan. For the first time, these short experiments (39 days maximum) have shown that the denitrifying bacteria, Pseudomonas denitrificans, can survive and thrive when injected into flow-through column experiments containing fractured diatomaceous mudstone and synthetic groundwater under pressurized conditions. Although there were few significant changes in the fluid chemistry, changes in the permeability of the biotic column, which can be explained by the observed biofilm formation, were quantitatively monitored. These same methodologies could also be adapted to obtain information from cores originating from a variety of geological environments including oil reservoirs, aquifers and toxic waste disposal sites to provide an understanding of the impact of microbial activity on the transport of a range of solutes, such as groundwater contaminants and gases (e.g. injected carbon dioxide).

The results of a microstructural study by backscattered scanning electron microscopy and a microchemical study using X-ray microprobe analysis of phyllosilicate intergrowths from sandstones, shales, metagreywackes, and low-grade schists are presented. The microstructural study revealed that the intergrowths thicken and become more coherent with metamorphic grade; the intergrowths change from incoherent to coherent in the anchizone. The increasing coherency is mirrored by an increase in the crystallinity indices of the illites/phengites. Chemical analysis of the individual intergrowth phases was difficult in the sediments and no systematic compositional variations were recorded. However, clear compositional trends with increasing metamorphic grade emerged in the phengites from the metagreywackes and schists, but in the chlorites only slight compositional changes were recorded.

A sequence of sedimentary rocks from the Lower Chalk to the Oxford Clay has been studied as part of a reasearch programme into the feasibility of the disposal of low- and intermediate-level radioactive wastes in argillaceous strata. The preservation of aragonite in such rocks suggests that little groundwater movement has occurred through the bulk of these clays and this would imply that most groundwater movement is likely to occur along any fractures that may be present. Such fractures may interconnect with adjacent aquifer units along which most transport of radionuclides would occur. In these sediments the presence of smectitic clay minerals would strongly influence their retention of radionuclides by sorption and ion-exchange reactions. Compaction, calcite cementation, calcite dissolution and the diagenesis of biogenic silica have influenced the porosity and permeability of the rocks. These processes have also controlled the chemistry of many pore surfaces in contact with groundwater and these in turn will affect groundwater chemistry, and the nature of interactions with transported radionuclides.

In many cases, when dealing with argillaceous fine-grained sedimentary rocks, the isotopic ages obtained from Rb–Sr whole-rock isochron calculations are of geological significance, despite the fact that the initial conditions of Sr isotopic homogenization are not fulfilled. To explain this, a mechanical mixing during deposition has been suggested, leading to an aggregate of mixed material with fairly uniform 87Sr/86Sr values, whatever Rb/Sr ratio is found in the analysed samples. This investigation of the behaviour of Rb and Sr during sedimentation and early diagenesis, involves study of more than 60 samples of fine-grained recent sediments from selected coastal localities of Brazil. The results indicate that pelitic samples from some recent to present-day transitional or shallow marine environments, such as the Jacarepaguá tidal flat and the Amazonas River mouth, where halmirolysis could have occurred, may produce nearly horizontal best-fit lines in a Rb–Sr isochron diagram. Moreover, the initial isotopic 87Sr/86Sr ratios appear to be well above 0.710. In open marine environments, such as the Campos Basin, where sampling was spread over more than 100 metres, exchanges between the argillaceous sediments and seawater potentially happen at low temperature, inducing a reduction of the 87Sr/86Sr isotopic composition of the sediments to nearly 0.710. An almost horizontal best-fit line is produced for the entire stratigraphic section, independent of the sedimentation age. We believe that in similar environments such ‘zero age isochrons’ are maintained for some time, testifying to exchanges between the sediment and the interstitial fluids, before the onset of burial diagenesis. The above described studies on fine-grained and recent argillaceous sediments seem to confirm the production of horizontal best-fit lines in isochron diagrams, justifying the application of the Rb–Sr whole-rock method to pelitic sedimentary rocks. The nature of the material is critical. The pelitic sediments to be analysed should contain only very limited amounts of coarse clastic material (especially feldspars and mica fragments) and consist mainly of fine clay minerals in which smectites, illite and mixed layers illite–smectite largely predominate.

Arc-flank volcaniclastic sedimentation in the Murihiku Terrane of New Zealand lasted about 120 million years from Late Permian to Early Cretaceous time. Despite the effects of pervasive zeolite-facies alteration, whole-rock geochemical parameters for sandstones, siltstones and tuffs record changes in source-rock composition, both in time and along the length of the depositional basin. Sandstones are considered to give a more reliable indication of the state of evolution of the source volcanic arc than do the siltstones. The siltstones commonly contain detrital white mica flakes that are generally lacking in the sandstones, and are possibly of distal continental origin. Some also contain very fine felsic ash particles. Average abundances and normalized multi-element diagrams are used to estimate proportions of three model end-member source constituents, average upper-continental crust (UCC), high-K rhyolite (RHY) and basaltic andesite (AND). Sandstone provenance for the Southland Syncline sector changed from a predominantly basaltic-andesite source in Late Permian to early Middle Triassic time, for example, UCC:RHY:AND = 0:17:83 in the Early to early Middle Triassic, to highly felsic in the Middle to Late Triassic, reaching UCC:RHY:AND = 2:74:24 in the Late Triassic Oretian Stage. A UCC component became increasing significant from latest Triassic upward and the proportion of mafic to felsic volcanism increased again, with UCC:RHY:AND = 15:30:35 in the Middle Jurassic Temaikan Stage. Mix modelling suggests that along-arc source proportions varied, with greater mafic and upper continental crust contributions in the northern Kawhia segment than in the Southland segment. These patterns may be explained by deposition at an oceanic Aleutian-type arc margin, with transition to a continental oceanic arc character induced either by arc evolution and dissection, forearc sliver translation, or underplating of rafted microcontinental fragments.